N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine

C50H32N2 — CID 89417823

IUPACN,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C50H32N2/c1-2-16-37(17-3-1)52-49-21-11-10-20-44(49)48-31-46-43-27-26-40(30-45(43)41-18-8-9-19-42(41)47(46)32-50(48)52)51(38-24-22-33-12-4-6-14-35(33)28-38)39-25-23-34-13-5-7-15-36(34)29-39/h1-32H
InChIKeyZVIWJUYRZDJGNM-UHFFFAOYSA-N
MW660.82 g/mol
LogP14.02
Rot. Bonds4

About N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine

N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine (PubChem CID 89417823) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
PubChem CID89417823
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC NameN,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C50H32N2/c1-2-16-37(17-3-1)52-49-21-11-10-20-44(49)48-31-46-43-27-26-40(30-45(43)41-18-8-9-19-42(41)47(46)32-50(48)52)51(38-24-22-33-12-4-6-14-35(33)28-38)39-25-23-34-13-5-7-15-36(34)29-39/h1-32H
InChIKeyZVIWJUYRZDJGNM-UHFFFAOYSA-N
XLogP14.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine with MolForge

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Related Compounds

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N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
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N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
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1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
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N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
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CID 174258176
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
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N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
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4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine (CID 89417823) is N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine is c1ccc(-n2c3ccccc3c3cc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c5ccccc5c4cc32)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine?
The InChIKey is ZVIWJUYRZDJGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-16-37(17-3-1)52-49-21-11-10-20-44(49)48-31-46-43-27-26-40(30-45(43)41-18-8-9-19-42(41)47(46)32-50(48)52)51(38-24-22-33-12-4-6-14-35(33)28-38)39-25-23-34-13-5-7-15-36(34)29-39/h1-32H.
What are the key properties of N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine?
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine has a molecular weight of 660.82 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine is sourced from PubChem (CID 89417823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).